Geometry & MOs

Info

ID:	81736
PubChem CID:	49855071
Reduced:	NSO4C16H26 (2)
Stoich.:	ABC4D16E26 (2)
Weight, g/mol:	450.205213
ΔH_f, kcal/mol:	-412.57
Dipole, Da:	2.04
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[bis(2-chloroethyl)amino]-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tridecanamide

Drug info:

PubChemData

Smile

C1COC(=O)[C@H]1NC(=O)CC(=O)CCCCCCCCCSSCCCCCCCCCC(=O)CC(=O)NC2CCOC2=O

DOS

IR

Vibrations